2-アミノ-4-クロロフェノール-6-スルホン酸

3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

HCID 6927

基本情報

CAS
88-23-3
標準SMILES
Nc1cc(Cl)cc(S(=O)(=O)O)c1O
InChIKey
YCTAOQGPWNTYJE-UHFFFAOYSA-N
分子式
C6H6ClNO4S
平均分子量
223.63 g/mol
単同位体質量
222.97060635

概要

6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)

名称と識別子

優先名称
3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
IUPAC
3-amino-5-chloro-2-hydroxybenzenesulfonic acid
現地名
2-アミノ-4-クロロフェノール-6-スルホン酸
英語名
2-Amino-4-chlorophenol-6-sulfonic acid
分子式
C6H6ClNO4S
分子量
223.63

名称と別名

3-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-32-Amino-4-chlorophenol-6-sulfonic Acid6-Amino-4-chloro-1-phenol-2-sulfonic acid4-Chloro-2-aminophenol-6-sulfonic acidBenzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-CCRIS 4580DTXSID00244742-Hydroxy-5-chlorometanilic acidNSC 7539EINECS 201-813-583IP35P6EZ
名称をさらに表示
2-アミノ-4-クロロフェノール-6-スルホン酸2-ヒドロキシ-3-アミノ-5-クロロベンゼンスルホン酸3-アミノ-5-クロロ-2-ヒドロキシベンゼンスルホン酸クロロ-3-アミノヒドロキシベンゼンスルホン酸4-Chloro-2-amino-6-sulfonicacid5-Chloro-2-hydroxymetanilic acid2-Amino-4-chlorphenol-6-sulfonsureMetanilic acid, 5-chloro-2-hydroxy-2-Amino-4-chlorophenol-6-sulfonicAci2-Amino-4-chlorophenyl-6-sulfonic acid6-Amino-4-chlorophenol-2-sulfonic acid
NSC-7539UNII-83IP35P6EZDTXCID904474EC 201-813-51-PHENOL-2-SULFONIC ACID, 6-AMINO-4-CHLORO-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID, 6-RefChem:92925201-813-5

データベース識別子

CAS
88-23-3
PubChem CID
6927
DTXSID
DTXSID0024474
ChEMBL
CHEMBL3184757
UNII
83IP35P6EZ
EC Number
201-813-5
Nikkaji
J28.729F

物性

構造計算による物性

XLogP
0.8
極性表面積
109 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
1
重原子数
13

実験および物理化学的性質

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Physical Description6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)

物理化学的性質

比重(密度)
1.79 · 1.790±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
外見
powder to crystal
酸解離定数(Pka)
-1.53 · -1.53±0.50(Predicted)
色
White to Almost white
CAS データベース
88 · 88-23-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.

Warning

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 24-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10562
Fire HazardsFlash point data are not available for this compound, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupPhenols and Cresols
Reactivity Profile6-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID may react with strong oxidizing or reducing agents and with mineral acids and bases (NTP, 1992)
Air and Water ReactionsMay be sensitive to prolonged exposure to air and/or light. Insoluble in water.

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

tsca
TSCA listed
ridadr
2811
hs_code
2922.29.8190
risk_code
34
化審法
(3)-2090
hazard_code
C

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-: ACTIVE

応用分野

一般的な説明Off-white solid.

調製方法 · 1 件

2-Amino-4-chlorophenol-6-sulfonic acid obtained from p-chlorophenol by sulfonation and nitration is reduced with iron and hydrochloric acid without being precipitated. After filtering from the iron sludge, the highly alkaline reduction liquor is concentrated by evaporation and decolorized with activated carbon. Upon acidification 3-amino-5-chloro-2-hydroxybenzenesulfonic acid precipitates. Yield 72 %, based on p-chlorophenol.

上流・下流製品情報

下流製品

3-[(5-クロロ-2-ヒドロキシ-3-スルホフェニル)アゾ]-4-ヒドロキシ-1-ナフタレンスルホン酸二ナトリウムsodium [5-chloro-2-hydroxy-3-[(1,2,3,4-tetrahydro-2,4-dioxoquinolin-3-yl)azo]benzene-1-sulphonato(3-)]hydroxychromate(1-)Cobaltate(3-), bis[5-chloro-2-(hydroxy-κO)-3-[[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]azo-κN1]benzenesulfonato(3-)]-, disodium hydrogen3-[(1-ブチル-1,2-ジヒドロ-4-ヒドロキシ-2-オキソキノリン-3-イル)アゾ]-5-クロロ-2-ヒドロキシベンゼンスルホン酸ナトリウムAcid Red 362オメガ クロム ブラック ブルー Gアシッドレッド1835-クロロ-3-[[1-(2-クロロ-4-スルホフェニル)-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-4-イル]アゾ]-2-ヒドロキシベンゼンスルホン酸二ナトリウム5-クロロ-3-[(4,5-ジヒドロ-3-メチル-5-オキソ-1-フェニル-1H-ピラゾール-4-イル)アゾ]-2-ヒドロキシベンゼンスルホン酸ナトリウムMordant Red 716-[(5-クロロ-2-ヒドロキシ-3-スルホフェニル)アゾ]-5-ヒドロキシ-1-ナフタレンスルホン酸二ナトリウムC.I. Solvent Orange 6(8CI,9CI)

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関連反応

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化合物ノート

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